Geometry & MOs

Info

ID:	424993
PubChem CID:	135124752
Reduced:	O2F4H10C11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-276.72
Dipole, Da:	1.8
IP(EA), eV:	-10.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(1-methylpyrazol-4-yl)cyclopropyl]-3-oxopropanoate

Drug info:

PubChemData

Smile

C1C(CC1O)C2=CC(=CC(=C2)F)OC(F)(F)F

DOS

IR

Vibrations